5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine

C18H18N4O — CID 22220623

IUPAC5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
SMILESCOc1cccc(-c2nc(-c3ccccc3)nc(N)c2CN)c1
InChIInChI=1S/C18H18N4O/c1-23-14-9-5-8-13(10-14)16-15(11-19)17(20)22-18(21-16)12-6-3-2-4-7-12/h2-10H,11,19H2,1H3,(H2,20,21,22)
InChIKeySKVPIYLYAOJOHK-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.86
Rot. Bonds4

About 5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine

5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine (PubChem CID 22220623) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
PubChem CID22220623
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine
SMILESCOc1cccc(-c2nc(-c3ccccc3)nc(N)c2CN)c1
InChIInChI=1S/C18H18N4O/c1-23-14-9-5-8-13(10-14)16-15(11-19)17(20)22-18(21-16)12-6-3-2-4-7-12/h2-10H,11,19H2,1H3,(H2,20,21,22)
InChIKeySKVPIYLYAOJOHK-UHFFFAOYSA-N
XLogP2.86
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine (CID 22220623) is 5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine is COc1cccc(-c2nc(-c3ccccc3)nc(N)c2CN)c1.
What is the InChIKey of 5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is SKVPIYLYAOJOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-23-14-9-5-8-13(10-14)16-15(11-19)17(20)22-18(21-16)12-6-3-2-4-7-12/h2-10H,11,19H2,1H3,(H2,20,21,22).
What are the key properties of 5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine?
5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 306.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(3-methoxyphenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 22220623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).